N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide

C10H8F3N3O3S — CID 5209905

IUPACN-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cnc[nH]1
InChIInChI=1S/C10H8F3N3O3S/c11-10(12,13)19-8-3-1-7(2-4-8)16-20(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15)
InChIKeyHUNNBIJTESJOET-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.11
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide

N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 5209905) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID5209905
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cnc[nH]1
InChIInChI=1S/C10H8F3N3O3S/c11-10(12,13)19-8-3-1-7(2-4-8)16-20(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15)
InChIKeyHUNNBIJTESJOET-UHFFFAOYSA-N
XLogP2.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide (CID 5209905) is N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cnc[nH]1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is HUNNBIJTESJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c11-10(12,13)19-8-3-1-7(2-4-8)16-20(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide?
N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 307.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 5209905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).